CID 9669081

2-methoxy-4-(2-(3-pyridinylcarbonyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C21H15Cl2N3O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CN=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H15Cl2N3O4/c1-29-19-9-13(11-25-26-20(27)14-3-2-8-24-12-14)4-7-18(19)30-21(28)16-6-5-15(22)10-17(16)23/h2-12H,1H3,(H,26,27)/b25-11+
InChIKey
AEJPGTBUDIYGSI-OPEKNORGSA-N
Compound name
[2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.04398 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.05126 199.8
[M+Na]+ 466.03320 207.9
[M-H]- 442.03670 209.0
[M+NH4]+ 461.07780 208.8
[M+K]+ 482.00714 202.1
[M+H-H2O]+ 426.04124 189.9
[M+HCOO]- 488.04218 215.0
[M+CH3COO]- 502.05783 231.8
[M+Na-2H]- 464.01865 201.9
[M]+ 443.04343 207.3
[M]- 443.04453 207.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.